5-[4-butyl-5-[5-[(prop-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-2-carboxylic acid

Systemtic Name: 5-[4-butyl-5-[5-[(prop-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-2-carboxylic acid Openeye Name: 5-[4-butyl-5-[5-[(prop-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]thiazol-2-yl]pyridine-2-carboxylic acid CAS Name: 5-[4-butyl-5-[5-[[[oxo(prop-2-ynoxy)methyl]amino]methyl]-1H-pyrazol-3-yl]-2-thiazolyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[4-butyl-5-[5-[(prop-2-ynoxycarbonylamino)methyl]-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]pyridine-2-carboxylic acid Traditional Name: 5-[4-butyl-5-[5-[(propargyloxycarbonylamino)methyl]-1H-pyrazol-3-yl]thiazol-2-yl]picolinic acid Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC(=N1)C2=CN=C(C=C2)C(=O)O)C3=NNC(=C3)CNC(=O)OCC#C

Isomeric SMILES

CCCCC1=C(SC(=N1)C2=CN=C(C=C2)C(=O)O)C3=NNC(=C3)CNC(=O)OCC#C

InChI

InChI=1S/C21H21N5O4S/c1-3-5-6-15-18(17-10-14(25-26-17)12-23-21(29)30-9-4-2)31-19(24-15)13-7-8-16(20(27)28)22-11-13/h2,7-8,10-11H,3,5-6,9,12H2,1H3,(H,23,29)(H,25,26)(H,27,28)